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EC number: 221-816-5 | CAS number: 3244-88-0
Endpoint summary
Administrative data
Description of key information
Bioaccumulation in aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate(CAS No. 3244 -88 -0). The bioconcentration factor (BCF) of2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonatewas estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation in aquatic / sediment
Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the bioaccumulation of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate in environment.
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate(CAS No. 3244 -88 -0). The bioconcentration factor (BCF) of2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonatewas estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis not expected to bioaccumulate in the food chain.
Similar predicted data for the target chemical From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be 2.38 dimensionless.The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis non-bioaccumulative in nature.
The predicted data of the target chemical is supported by thestructurally similar read across 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) (CAS: 81 -11 -8) from Japan chemical collaborative knowledge database (J check) 2017, indicates that the Bioaccumulation of 4,4'-diaminostilbene-2,2'-disulphonic acid was analyzed accpording to the OECD Guideline 305 C (Bioaccumulation: Test for the Degree of Bioconcentration in Fish). The test was carried out at nominal concentration of1st Concentration area: 1 mg/L, 2nd Concentration area: 0.1 mg/L exposed toCyprinus carpio for 6 wks.The Bioaccumulation factor(BCF) for 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid (CAS: 81-11-8) is 4.7 L/kg in 6 wk.It can be concluded from the value that the ,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid is not bioaccumulative in environment.
On the basis of above results for target chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (from EPI suite, CompTox Chemistry Dashboard) and for its read across chemical (from J-CHeck 2017), and the value of BCF ranges from 2.38 to 4.7 which does not exceed the bio-concentration threshold of 2000, it can be concluded that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate is not expected to be bioaccumulate in the food chain.
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